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Chemical structure of Thymidine-5'-O-(α,β-methylene)diphosphate (sodium salt)

GC90925

Thymidine-5'-O-(α,β-methylene)diphosphate (sodium salt)

Also known as trisodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-(phosphonatomethyl)phosphinate

A derivative of TDP and an inhibitor of thymidine kinase

ChemicalCAS71370-60-0MW466.2FormulaC11H15N2O10P23Na
CAS number
71370-60-0
Molecular weight
466.2
Formula
C11H15N2O10P23Na
Solubility
Water: Soluble
InChIKey
XRFXVMZGXVGIMM-JUQWFZSASA-K
Catalogue number
GC90925
Brand
GLPBIO
Computed properties PubChem CID 170917289 · TPSA 191 Ų · H-bond donors 2 · H-bond acceptors 10
TPSA
191 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
28

SMILES CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CP(=O)([O-])[O-])[O-])O.[Na+].[Na+].[Na+]

Computed descriptors from PubChem (CID 170917289), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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